Geometry & MOs

Info

ID:	28014
PubChem CID:	824854
Reduced:	O2C19H24 (1)
Stoich.:	A2B19C24 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-93.92
Dipole, Da:	1.61
IP(EA), eV:	-9.3(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydronaphthalen-2-one

Drug info:

PubChemData

Smile

COC(=O)CC1(C2CC3CC(C2)CC1C3)C4=CC=CC=C4

DOS

IR

Vibrations